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Benzethonium chloride

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Identification
Molecular formula
C27H42ClNO2
CAS number
121-54-0
IUPAC name
2-[2-[(5-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)oxy]ethoxy]ethyl-dimethyl-ammonium;2-hydroxy-2-oxo-acetate
State
State

Benzethonium chloride is generally found as a solid powder at room temperature. It is neither volatile nor hygroscopic but needs to be handled carefully to avoid inhalation.

Melting point (Celsius)
163.00
Melting point (Kelvin)
436.15
Boiling point (Celsius)
300.00
Boiling point (Kelvin)
573.15
General information
Molecular weight
448.11g/mol
Molar mass
448.1070g/mol
Density
1.0702g/cm3
Appearence

Benzethonium chloride is a fine white powder that is crystalline in nature. It is often odorless, although sometimes a faint almond smell is noticeable depending on the manufacturing process. In solution, benzethonium chloride may remain clear or can take on a slightly hazy appearance depending on concentration and pH levels.

Comment on solubility

Solubility Profile

The compound 2-[2-[(5-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)oxy]ethoxy]ethyl-dimethyl-ammonium; 2-hydroxy-2-oxo-acetate showcases a unique solubility behavior due to its intricate structure and the presence of various functional groups. Understanding the solubility of this compound can be pivotal for its applications in various fields.

Key Factors Influencing Solubility:

  • Polarity: The presence of the ammonium group contributes to its polarity, which can enhance solubility in polar solvents, particularly water.
  • Hydrogen Bonding: The hydroxyl (−OH) groups can participate in hydrogen bonding, further affecting its solubility in different environments.
  • Hydrophobic Regions: The tricyclic structure may introduce hydrophobic characteristics that could limit solubility in aqueous solutions but enhance solubility in organic solvents.

When considering solubility, it is important to remember that:

  1. The compound may be soluble in polar solvents due to charged groups.
  2. It could exhibit limited solubility in nonpolar solvents because of its structural features.
  3. Practical experimentation is often required to determine exact solubility metrics.

In summary, the solubility of this compound is characterized by a balance between its polar and nonpolar attributes. As with many chemical species, the specific conditions, such as temperature and solvent type, will largely dictate its solubility behavior.

Interesting facts

Interesting Facts about 2-[2-[(5-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)oxy]ethoxy]ethyl-dimethyl-ammonium; 2-hydroxy-2-oxo-acetate

This intriguing compound, commonly known in certain research circles, plays a significant role in various fields, particularly in medicinal chemistry and material science. Here are some captivating insights:

  • Structural Complexity: The compound possesses a unique structure characterized by its tricyclic framework, which includes an innovative attachment of a dimethyl-ammonium group. This structure can influence its behavior significantly in biochemical interactions.
  • Biological Activities: Due to its complex organic framework, the compound has been studied for potential biological activities. It may exhibit properties such as antimicrobial, antifungal, or even cytotoxic effects, making it a candidate for further pharmacological exploration.
  • Targeted Delivery: The presence of ethoxy and hydroxyl functional groups suggests potential applications in drug delivery systems, allowing for better solubility and permeability through biological membranes.
  • Research Applications: This compound can be pivotal in various research applications from the synthesis of novel materials to the investigation of new biochemical pathways.

As a future-focused molecule, 2-[2-[(5-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)oxy]ethoxy]ethyl-dimethyl-ammonium; 2-hydroxy-2-oxo-acetate stands as a testament to the intricate design nature can engineer, and it invites scientists to explore its myriad possibilities.


Synonyms
15475-50-0
Ethylamine, 2-(2-((10,11-dihydro-3-chloro-5H-dibenzo(a,d)cyclohepten-5-yl)oxy)ethoxy)-N,N-dimethyl-, oxalate (1:1)